SCHEMBL20109154

SCHEMBL20109154

C=C(CC(=O)OCC)P1(=O)N(C)CCN1C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
MGAM O43451 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
ALOX15 P16050 1/20 0.36
ALDH1A1 P00352 6/20 0.34
TRPA1 O75762 1/20 0.34
MAPT P10636 2/20 0.34
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 1/20 0.33
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17596721 0.74 MEN1 (0.42) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL17596797 0.72 CASP3 (0.39) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL20113736 0.71 GAA (0.47) GAAMGAMSIMGAM2ALOX15
SCHEMBL20109285 0.71 GAA (0.47) GAAMGAMSIMGAM2ALOX15
Malonic Acid Diethyl Ester SCHEMBL28004207 0.67 GAA (0.79) GAAMGAMSIMGAM2ALOX15
Malonic Acid Diethyl Ester SCHEMBL7921633 0.66 GAA (0.88) GAAMGAMSIMGAM2ALOX15
Malonic Acid Diethyl Ester SCHEMBL7915035 0.66 GAA (0.88) GAAMGAMSIMGAM2ALOX15
Malonic Acid Diethyl Ester SCHEMBL29127591 0.66 GAA (0.88) GAAMGAMSIMGAM2ALOX15
Malonic Acid Diethyl Ester SCHEMBL1331824 0.66 GAA (1.00) GAAMGAMSIMGAM2ALOX15
Malonic Acid Diethyl Ester SCHEMBL1330550 0.66 GAA (1.00) GAAMGAMSIMGAM2ALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10633403-B2 N-heterocyclic phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA (US) 2020-04-28 US disclosed
US-20180118770-A1 N-Heterocyclic Phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2018-05-03 US disclosed
US-20180118770-A1 N-Heterocyclic Phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2018-05-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180118770-A1 N-Heterocyclic Phosphines NANP, PPIP5K2, PHPT1 GAA 4181/4885MGAM 4128/4885SI 2996/4885
US-10633403-B2 N-heterocyclic phosphines NANP, PPIP5K2, PHPT1 GAA 4181/4885MGAM 4128/4885SI 2996/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.